SCHEMBL4253872

SCHEMBL4253872

O=C(/C=C/c1ccc(O)cc1)NCCOc1ccc(C(=S)NO)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ABCG2 Q9UNQ0 3/20 0.52
HDAC3 O15379 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
GAA P10253 1/20 0.50
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
MAOB P27338 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
CYP1A2 P05177 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4254030 0.90 SMN1; SMN2 (0.71) SMN1; SMN2RAB9AKMT2AMAPTMEN1
SCHEMBL4253319 0.90 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AKMT2AMAPTMEN1
SCHEMBL4253893 0.89 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AKMT2AMAPTMEN1
SCHEMBL4250923 0.89 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AKMT2AMAPTMEN1
SCHEMBL443737 0.88 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AKMT2AMAPTMEN1
SCHEMBL443738 0.88 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AKMT2AMAPTMEN1
SCHEMBL4258261 0.87 KMT2A (0.55) SMN1; SMN2RAB9AKMT2AMAPTMEN1
SCHEMBL4252562 0.86 SMN1; SMN2 (0.66) SMN1; SMN2RAB9AKMT2AMAPTMEN1
SCHEMBL4255664 0.86 SMN1; SMN2 (0.69) SMN1; SMN2RAB9AKMT2AMAPTMEN1
SCHEMBL4258419 0.85 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AKMT2AMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 SMN1; SMN2 3469/4885RAB9A 3763/4885KMT2A 94/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.